![12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene structure](/static/products/4960/496027-19-1.webp)
12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
TL;DR: 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 496027-19-1) is a chemical compound with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-12-(4-phenylmethoxyphenoxy)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
Also Known As: 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene, 2-methyl-4-[4-(phenylmethoxy)phenoxy]-5,6,7-trihydrocyclopenta[2,1-d]pyrimidin o[4,5-b]thiophene
| Molecular Formula | C23H20N2O2S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 5.85972 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.12454 |
| Heavy Atoms | 28 |
| Complexity | 1121.0187 |
Chemical Identifiers
| CAS Number | 496027-19-1 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)OC4=CC=C(C=C4)OCC5=CC=CC=C5 |
Product Overview
12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 496027-19-1), with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol. IUPAC: 10-methyl-12-(4-phenylmethoxyphenoxy)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
Chemical Property Profile of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
Property Insights of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
The XLogP value of 5.85972 indicates that 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The CAS number of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 496027-19-1.
What is the molecular formula of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular formula of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is C23H20N2O2S.
What is the molecular weight of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular weight of 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 388.12 g/mol.
Where can I buy 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
You can request a quote for 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-[4-(benzyloxy)phenoxy]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.